| Accurate and efficient prediction of optical gaps in silicon and germanium nanoparticles using a high-local-exchange density functional C Villot, KU Lao Chemical Physics Letters 850, 141460, 2024 | | 2024 |
| Structure- and Morphology-Controlled Synthesis of Hexagonal Ni2–xZnxP Nanocrystals and Their Composition-Dependent Electrocatalytic Activity for Hydrogen … LS Graves, R Sarkar, J Baker, KU Lao, IU Arachchige ACS Applied Energy Materials, 2024 | | 2024 |
| Improving second-order Møller–Plesset perturbation theory for noncovalent interactions with the machine learning-corrected ab initio dispersion potential KU Lao, C Villot The Journal of Chemical Physics 160 (18), 2024 | | 2024 |
| Ab initio dispersion potentials based on physics-based functional forms with machine learning C Villot, KU Lao The Journal of Chemical Physics 160 (18), 2024 | 1 | 2024 |
| Photodissociation Dynamics of the Highly Stable ortho-Nitroaniline Cation HA López Peña, JM Shusterman, C Dalkiewicz, SL McPherson, ... The Journal of Physical Chemistry A 128 (9), 1634-1645, 2024 | | 2024 |
| Highly efficient CO 2 electrochemical reduction on dual metal (Co–Ni)–nitrogen sites J Chen, MR Ahasan, JS Oh, JA Tan, S Hennessey, MM Kaid, ... Journal of Materials Chemistry A 12 (8), 4601-4609, 2024 | 2 | 2024 |
| Analysis of two overlapping fragmentation approaches in density matrix construction: GMBE-DM vs. ADMA F Ballesteros, KU Lao Physical Chemistry Chemical Physics 26 (5), 4386-4394, 2024 | | 2024 |
| Mapping spin contamination-free potential energy surfaces using restricted open-shell methods with Grassmannians JA Tan, KU Lao Physical Chemistry Chemical Physics 26 (2), 1436-1442, 2024 | 1 | 2024 |
| Colloidal Synthesis of Homogeneous Ge1–x–ySiySnx Nanoalloys with Composition-Tunable Visible to Near-IR Optical Properties D Spera, D Pate, GC Spence, C Villot, CJ Onukwughara, D White, KU Lao, ... Chemistry of Materials 35 (21), 9007-9018, 2023 | 1 | 2023 |
| An accurate and efficient fragmentation approach via the generalized many-body expansion for density matrices F Ballesteros, JA Tan, KU Lao The Journal of Chemical Physics 159 (7), 2023 | 2 | 2023 |
| Composition-Dependent Electrocatalytic Activity of Zn-Doped Ni5P4 Nanocrystals for the Hydrogen Evolution Reaction LS Graves, R Sarkar, KU Lao, IU Arachchige Chemistry of Materials 35 (17), 6966-6978, 2023 | 2 | 2023 |
| Accurate prediction of global-density-dependent range-separation parameters based on machine learning C Villot, T Huang, KU Lao The Journal of Chemical Physics 159 (4), 2023 | 1 | 2023 |
| The Grassmann interpolation method for spin-unrestricted open-shell systems JA Tan, KU Lao The Journal of Chemical Physics 158 (21), 2023 | 2 | 2023 |
| Electronic structure theory on modeling short-range noncovalent interactions between amino acids C Villot, KU Lao The Journal of Chemical Physics 158 (9), 2023 | 2 | 2023 |
| Generating accurate density matrices on the tangent space of a Grassmann manifold JA Tan, KU Lao The Journal of Chemical Physics 158 (5), 2023 | 3 | 2023 |
| Inclusion Complexation of S-Nitrosoglutathione for Sustained Nitric Oxide Release from Catheter Surfaces: A Strategy to Prevent and Treat Device-Associated … W Li, D Wang, KU Lao, X Wang ACS Biomaterials Science & Engineering 9 (3), 1694-1705, 2022 | 4 | 2022 |
| Inclusion Complexation of S-Nitrosoglutathione for Sustained NO Release and Reduced Device Infection W Li, D Wang, KU Lao, X Wang bioRxiv, 2022.10. 03.510719, 2022 | | 2022 |
| Iron(III) Chloro Complexation at the Air–Aqueous FeCl3 Interface via Second Harmonic Generation Spectroscopy KC Ng, T Adel, KU Lao, MG Varmecky, Z Liu, M Arrad, HC Allen The Journal of Physical Chemistry C 126 (36), 15386-15396, 2022 | 1 | 2022 |
| Coupled Cluster Benchmarking of Large Noncovalent Complexes in L7 and S12L as Well as the C60 Dimer, DNA–Ellipticine, and HIV–Indinavir C Villot, F Ballesteros, D Wang, KU Lao The Journal of Physical Chemistry A 126 (27), 4326-4341, 2022 | 19 | 2022 |
| Coherent control of molecular dissociation by selective excitation of nuclear wave packets HA López Peña, JM Shusterman, D Ampadu Boateng, KU Lao, ... Frontiers in Chemistry 10, 859095, 2022 | 5 | 2022 |
John M. HerbertProfessor of Chemistry & Biochemistry, Ohio State UniversityVerified email at chemistry.ohio-state.edu
